methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane

C244H283N57O36 — CID 157289620

IUPACmethyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)cnc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)cnc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cnc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3[nH]c(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc3c2n1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)[nH]cc3c2n1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ncc3cc(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc3c2[nH]1)C(C)C.[2H]C([2H])[2H]
InChIInChI=1S/3C41H47N9O6.3C40H46N10O6.CH4/c1-20(2)32(43-22(5)51)39(52)49-15-8-10-30(49)38-45-27-14-12-24-18-31(56-36(24)35(27)47-38)28-17-23-11-13-26-34(25(23)19-42-28)46-37(44-26)29-9-7-16-50(29)40(53)33(21(3)4)48-41(54)55-6;1-20(2)31(43-22(5)51)39(52)49-15-8-10-29(49)38-45-27-14-12-24-18-30(56-36(24)35(27)47-38)25-17-23-11-13-26-34(33(23)42-19-25)46-37(44-26)28-9-7-16-50(28)40(53)32(21(3)4)48-41(54)55-6;1-20(2)32(43-22(5)51)39(52)49-15-7-9-29(49)37-44-26-14-12-24-18-31(56-36(24)35(26)47-37)23-11-13-25-27(17-23)42-19-28-34(25)46-38(45-28)30-10-8-16-50(30)40(53)33(21(3)4)48-41(54)55-6;1-19(2)30(41-21(5)51)38(52)49-17-8-10-29(49)36-44-25-15-16-26-34(33(25)47-36)56-37(45-26)27-12-11-22-23(42-27)13-14-24-32(22)46-35(43-24)28-9-7-18-50(28)39(53)31(20(3)4)48-40(54)55-6;1-19(2)29(42-21(5)51)38(52)49-15-8-10-28(49)36-44-25-13-14-26-34(33(25)47-36)56-37(45-26)23-17-22-11-12-24-32(31(22)41-18-23)46-35(43-24)27-9-7-16-50(27)39(53)30(20(3)4)48-40(54)55-6;1-19(2)29(42-21(5)51)38(52)49-15-7-9-27(49)34-43-25-13-14-26-33(32(25)46-34)56-37(44-26)22-11-12-24-23(17-22)18-41-36-31(24)45-35(48-36)28-10-8-16-50(28)39(53)30(20(3)4)47-40(54)55-6;/h11-14,17-21,29-30,32-33,42H,7-10,15-16H2,1-6H3,(H,43,51)(H,45,47)(H,48,54);11-14,17-21,28-29,31-32H,7-10,15-16H2,1-6H3,(H,43,51)(H,44,46)(H,45,47)(H,48,54);11-14,17-21,29-30,32-33H,7-10,15-16H2,1-6H3,(H,43,51)(H,44,47)(H,45,46)(H,48,54);11-16,19-20,28-31,42H,7-10,17-18H2,1-6H3,(H,41,51)(H,44,47)(H,48,54);11-14,17-20,27-30H,7-10,15-16H2,1-6H3,(H,42,51)(H,43,46)(H,44,47)(H,48,54);11-14,17-20,27-30H,7-10,15-16H2,1-6H3,(H,42,51)(H,43,46)(H,47,54)(H,41,45,48);1H4/t29-,30-,32-,33-;28-,29-,31-,32-;29-,30-,32-,33-;28-,29-,30-,31-;2*27-,28-,29-,30-;/m000000./s1/i;;;;;;1D3
InChIKeyZECXNBSRLKGHLC-UHIOVWIQSA-N
MW4593.33 g/mol
LogP36.43
Rot. Bonds54

About methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane

methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane (PubChem CID 157289620) has the molecular formula C244H283N57O36 and a molecular weight of 4593.33 g/mol. Its IUPAC name is methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane
PubChem CID157289620
Molecular FormulaC244H283N57O36
Molecular Weight4593.33 g/mol
Exact Mass4590.23
IUPAC Namemethyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)cnc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)cnc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cnc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3[nH]c(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc3c2n1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)[nH]cc3c2n1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ncc3cc(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc3c2[nH]1)C(C)C.[2H]C([2H])[2H]
InChIInChI=1S/3C41H47N9O6.3C40H46N10O6.CH4/c1-20(2)32(43-22(5)51)39(52)49-15-8-10-30(49)38-45-27-14-12-24-18-31(56-36(24)35(27)47-38)28-17-23-11-13-26-34(25(23)19-42-28)46-37(44-26)29-9-7-16-50(29)40(53)33(21(3)4)48-41(54)55-6;1-20(2)31(43-22(5)51)39(52)49-15-8-10-29(49)38-45-27-14-12-24-18-30(56-36(24)35(27)47-38)25-17-23-11-13-26-34(33(23)42-19-25)46-37(44-26)28-9-7-16-50(28)40(53)32(21(3)4)48-41(54)55-6;1-20(2)32(43-22(5)51)39(52)49-15-7-9-29(49)37-44-26-14-12-24-18-31(56-36(24)35(26)47-37)23-11-13-25-27(17-23)42-19-28-34(25)46-38(45-28)30-10-8-16-50(30)40(53)33(21(3)4)48-41(54)55-6;1-19(2)30(41-21(5)51)38(52)49-17-8-10-29(49)36-44-25-15-16-26-34(33(25)47-36)56-37(45-26)27-12-11-22-23(42-27)13-14-24-32(22)46-35(43-24)28-9-7-18-50(28)39(53)31(20(3)4)48-40(54)55-6;1-19(2)29(42-21(5)51)38(52)49-15-8-10-28(49)36-44-25-13-14-26-34(33(25)47-36)56-37(45-26)23-17-22-11-12-24-32(31(22)41-18-23)46-35(43-24)27-9-7-16-50(27)39(53)30(20(3)4)48-40(54)55-6;1-19(2)29(42-21(5)51)38(52)49-15-7-9-27(49)34-43-25-13-14-26-33(32(25)46-34)56-37(44-26)22-11-12-24-23(17-22)18-41-36-31(24)45-35(48-36)28-10-8-16-50(28)39(53)30(20(3)4)47-40(54)55-6;/h11-14,17-21,29-30,32-33,42H,7-10,15-16H2,1-6H3,(H,43,51)(H,45,47)(H,48,54);11-14,17-21,28-29,31-32H,7-10,15-16H2,1-6H3,(H,43,51)(H,44,46)(H,45,47)(H,48,54);11-14,17-21,29-30,32-33H,7-10,15-16H2,1-6H3,(H,43,51)(H,44,47)(H,45,46)(H,48,54);11-16,19-20,28-31,42H,7-10,17-18H2,1-6H3,(H,41,51)(H,44,47)(H,48,54);11-14,17-20,27-30H,7-10,15-16H2,1-6H3,(H,42,51)(H,43,46)(H,44,47)(H,48,54);11-14,17-20,27-30H,7-10,15-16H2,1-6H3,(H,42,51)(H,43,46)(H,47,54)(H,41,45,48);1H4/t29-,30-,32-,33-;28-,29-,31-,32-;29-,30-,32-,33-;28-,29-,30-,31-;2*27-,28-,29-,30-;/m000000./s1/i;;;;;;1D3
InChIKeyZECXNBSRLKGHLC-UHIOVWIQSA-N
XLogP36.43
TPSA1187.31 Ų
H-Bond Donors24
H-Bond Acceptors57
Rotatable Bonds54
Heavy Atoms337
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004593.33
LogP ≤ 536.43
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1057

Analyze methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane?
The IUPAC name of methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane (CID 157289620) is methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane.
What is the SMILES notation for methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane?
The canonical SMILES for methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane is COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)cnc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)cnc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cnc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc32)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3[nH]c(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc3c2n1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4cc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)[nH]cc3c2n1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ncc3cc(-c4nc5ccc6[nH]c([C@@H]7CCCN7C(=O)[C@@H](NC(C)=O)C(C)C)nc6c5o4)ccc3c2[nH]1)C(C)C.[2H]C([2H])[2H].
What is the InChIKey of methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane?
The InChIKey is ZECXNBSRLKGHLC-UHIOVWIQSA-N. The full InChI is InChI=1S/3C41H47N9O6.3C40H46N10O6.CH4/c1-20(2)32(43-22(5)51)39(52)49-15-8-10-30(49)38-45-27-14-12-24-18-31(56-36(24)35(27)47-38)28-17-23-11-13-26-34(25(23)19-42-28)46-37(44-26)29-9-7-16-50(29)40(53)33(21(3)4)48-41(54)55-6;1-20(2)31(43-22(5)51)39(52)49-15-8-10-29(49)38-45-27-14-12-24-18-30(56-36(24)35(27)47-38)25-17-23-11-13-26-34(33(23)42-19-25)46-37(44-26)28-9-7-16-50(28)40(53)32(21(3)4)48-41(54)55-6;1-20(2)32(43-22(5)51)39(52)49-15-7-9-29(49)37-44-26-14-12-24-18-31(56-36(24)35(26)47-37)23-11-13-25-27(17-23)42-19-28-34(25)46-38(45-28)30-10-8-16-50(30)40(53)33(21(3)4)48-41(54)55-6;1-19(2)30(41-21(5)51)38(52)49-17-8-10-29(49)36-44-25-15-16-26-34(33(25)47-36)56-37(45-26)27-12-11-22-23(42-27)13-14-24-32(22)46-35(43-24)28-9-7-18-50(28)39(53)31(20(3)4)48-40(54)55-6;1-19(2)29(42-21(5)51)38(52)49-15-8-10-28(49)36-44-25-13-14-26-34(33(25)47-36)56-37(45-26)23-17-22-11-12-24-32(31(22)41-18-23)46-35(43-24)27-9-7-16-50(27)39(53)30(20(3)4)48-40(54)55-6;1-19(2)29(42-21(5)51)38(52)49-15-7-9-27(49)34-43-25-13-14-26-33(32(25)46-34)56-37(44-26)22-11-12-24-23(17-22)18-41-36-31(24)45-35(48-36)28-10-8-16-50(28)39(53)30(20(3)4)47-40(54)55-6;/h11-14,17-21,29-30,32-33,42H,7-10,15-16H2,1-6H3,(H,43,51)(H,45,47)(H,48,54);11-14,17-21,28-29,31-32H,7-10,15-16H2,1-6H3,(H,43,51)(H,44,46)(H,45,47)(H,48,54);11-14,17-21,29-30,32-33H,7-10,15-16H2,1-6H3,(H,43,51)(H,44,47)(H,45,46)(H,48,54);11-16,19-20,28-31,42H,7-10,17-18H2,1-6H3,(H,41,51)(H,44,47)(H,48,54);11-14,17-20,27-30H,7-10,15-16H2,1-6H3,(H,42,51)(H,43,46)(H,44,47)(H,48,54);11-14,17-20,27-30H,7-10,15-16H2,1-6H3,(H,42,51)(H,43,46)(H,47,54)(H,41,45,48);1H4/t29-,30-,32-,33-;28-,29-,31-,32-;29-,30-,32-,33-;28-,29-,30-,31-;2*27-,28-,29-,30-;/m000000./s1/i;;;;;;1D3.
What are the key properties of methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane?
methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane has a molecular weight of 4593.33 g/mol, XLogP of 36.43, 54 rotatable bonds, 24 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-8H-imidazo[4,5-h]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-furo[2,3-e]benzimidazol-7-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-1H-imidazo[4,5-c]isoquinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-6H-imidazo[4,5-f]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[7-[7-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-6H-imidazo[4,5-g][1,3]benzoxazol-2-yl]-3H-imidazo[4,5-h]quinolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trideuteriomethane is sourced from PubChem (CID 157289620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).